Geometry & MOs

Info

ID:	378834
PubChem CID:	134224935
Reduced:	FO3N5C27H36 (1)
Stoich.:	AB3C5D27E36 (1)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	1.92
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(ethylamino)pyrimidin-4-yl]pyridin-2-one

Drug info:

PubChemData

Smile

C/C=C(\C=C/N(C=O)C(CCCCN)C1=CC(=C(C=C1)OC)F)/C2=NC(=NC=C2)NC3CCOCC3

DOS

IR

Vibrations